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	hartrees
Energy at 0K	-47.414686
Energy at 298.15K	-47.417049
HF Energy	-47.414686
Nuclear repulsion energy	16.197358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2946	2946	91.08
2	A₁	1120	1120	8.60
3	A₁	623	623	24.39
4	E	3005	3005	65.12
4	E	3005	3005	65.12
5	E	1464	1464	5.04
5	E	1464	1464	5.04
6	E	435	435	185.56
6	E	435	435	185.56

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.588
C2	0.000	0.000	0.385
H3	0.000	1.014	0.817
H4	-0.878	-0.507	0.817
H5	0.878	-0.507	0.817

	Li1	C2	H3	H4	H5
Li1		1.9732	2.6101	2.6101	2.6101
C2	1.9732		1.1023	1.1023	1.1023
H3	2.6101	1.1023		1.7565	1.7565
H4	2.6101	1.1023	1.7565		1.7565
H5	2.6101	1.1023	1.7565	1.7565

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	113.065	Li1	C2	H4	113.065
Li1	C2	H5	113.065	H3	C2	H4	105.651
H3	C2	H5	105.651	H4	C2	H5	105.651

All results from a given calculation for CH₃Li (methyl lithium)

using model chemistry: TPSSh/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	Li	0.436
2	C	-0.699
3	H	0.088
4	H	0.088
5	H	0.088

	x	y	z	Total
	0.000	0.000	-5.489	5.489
CHELPG
AIM
ESP

<r²>	18.749
(<r²>)^1/2	4.330

All results from a given calculation for CH3Li (methyl lithium)

using model chemistry: TPSSh/6-311G**

States and conformations

All results from a given calculation for CH₃Li (methyl lithium)